Modern methods of crystal structure prediction [electronic resource] / edited by Artem R. Oganov.
Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field, reflecting the numerous viewpoints of the different authors.℗¡The book℗¡summarises the major achievements℗¡of the last few years and also discusses the c...
Saved in:
| Online Access: |
Full Text (via Wiley) |
|---|---|
| Other Authors: | |
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Weinheim : Chichester :
Wiley-VCH ; John Wiley [distributor],
2010.
|
| Subjects: |
Table of Contents:
- Introduction: Crystal Structure Prediction, a Formidable Problem
- Periodic-Graph Approaches in Crystal Structure Prediction / Vladislav A Blatov, Davide M Proserpio
- Energy Landscapes and Structure Prediction Using Basin-Hopping / David J Wales
- Random Search Methods / William W Tipton, Richard G Hennig
- Predicting Solid Compounds Using Simulated Annealing / J Christian Schon, Martin Jansen
- Simulation of Structural Phase Transitions in Crystals: The Metadynamics Approach / Roman Martonak
- Global Optimization with the Minima Hopping Method / Stefan Goedecker
- Crystal Structure Prediction Using Evolutionary Approach / Andriy O Lyakhov, Artem R Oganov, Mario Valle
- Pathways of Structural Transformations in Reconstructive Phase Transitions: Insights from Transition Path Sampling Molecular Dynamics / Stefano Leoni, Salah Eddine Boulfelfel
- Colour Plates
- Appendix: First Blind Test of Inorganic Crystal Structure Prediction Methods.